SCHEMBL6408826

SCHEMBL6408826

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CCR5 P51681 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6408823 0.99 MEN1 (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6415606 0.93 MEN1 (0.39) MEN1KMT2APOLBALDH1A1CCR5
SCHEMBL6414737 0.93 CCR5 (0.41) MEN1KMT2APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6415599 0.92 MEN1 (0.39) MEN1KMT2APOLBALDH1A1CCR5
SCHEMBL6435174 0.92 MEN1 (0.40) MEN1KMT2APOLBALDH1A1ROCK2
Hydrochloric Acid SCHEMBL6414732 0.92 CCR5 (0.40) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6411551 0.91 ROCK2 (0.44) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6412947 0.91 CCR5 (0.39) MEN1KMT2APOLBALDH1A1CCR5
Hydrochloric Acid SCHEMBL6411547 0.91 ROCK2 (0.44) MEN1KMT2APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6412939 0.90 CCR5 (0.39) MEN1KMT2APOLBALDH1A1CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 MEN1 4007/4885KMT2A 4587/4885POLB 3564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.